SCHEMBL701781

SCHEMBL701781

[2H]C([2H])([2H])C([2H])([2H])Oc1cc(C=O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
TSHR P16473 1/20 0.64
FDPS P14324 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 3/20 0.50
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TTR P02766 1/20 0.48
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL702720 0.92 ALDH1A1 (0.53) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL704683 0.82 ALDH1A1 (0.40) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL7661907 0.82 FDPS (0.86) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL30416638 0.80 ALDH1A1 (0.72) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL754958 0.80 ALDH1A1 (0.72) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL5974454 0.80 FDPS (0.77) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.79 ALDH1A1 (1.00) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.79 ALDH1A1 (1.00) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.79 ALDH1A1 (1.00) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.79 ALDH1A1 (1.00) ALDH1A1TSHRFDPSSMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-9296689-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
US-8883843-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8404737-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8404737-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2012-10-04 US disclosed
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2012-10-04 US disclosed
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ALDH1A1 4/4885TSHR 4771/4885FDPS 173/4885
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ALDH1A1 4/4885TSHR 4771/4885FDPS 173/4885
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ALDH1A1 4/4885TSHR 4771/4885FDPS 173/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ALDH1A1 4/4885TSHR 4771/4885FDPS 173/4885
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D ALDH1A1 4/4885TSHR 4771/4885FDPS 173/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.